methyl (2S)-2-[[8-(oxidanylamino)-8-oxidanylidene-octanoyl]amino]-3-(4-thiophen-3-ylphenyl)propanoate

Systemtic Name: methyl (2S)-2-[[8-(oxidanylamino)-8-oxidanylidene-octanoyl]amino]-3-(4-thiophen-3-ylphenyl)propanoate Openeye Name: methyl (2S)-2-[[8-(hydroxyamino)-8-oxo-octanoyl]amino]-3-[4-(3-thienyl)phenyl]propanoate CAS Name: (2S)-2-[[8-(hydroxyamino)-1,8-dioxooctyl]amino]-3-[4-(3-thiophenyl)phenyl]propanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[8-(hydroxyamino)-8-oxooctanoyl]amino]-3-(4-thiophen-3-ylphenyl)propanoate Traditional Name: (2S)-2-[[8-(hydroxyamino)-8-keto-octanoyl]amino]-3-[4-(3-thienyl)phenyl]propionic acid methyl ester Formula: C22H28N2O5S MolecularWeight: 432.53312

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=C(C=C1)C2=CSC=C2)NC(=O)CCCCCCC(=O)NO

Isomeric SMILES

COC(=O)[C@H](CC1=CC=C(C=C1)C2=CSC=C2)NC(=O)CCCCCCC(=O)NO

InChI

InChI=1S/C22H28N2O5S/c1-29-22(27)19(23-20(25)6-4-2-3-5-7-21(26)24-28)14-16-8-10-17(11-9-16)18-12-13-30-15-18/h8-13,15,19,28H,2-7,14H2,1H3,(H,23,25)(H,24,26)/t19-/m0/s1